tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane

C35H53F9O3Si — CID 11714650

IUPACtert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane
SMILESC[C@@H](C/C=C/[C@H](C)C/C=C/[C@H](C)[C@H](C)OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H53F9O3Si/c1-25(13-10-15-26(2)23-47-48(8,9)31(5,6)7)14-11-16-27(3)28(4)46-24-29-17-19-30(20-18-29)45-22-12-21-32(36,37)33(38,39)34(40,41)35(42,43)44/h10-11,13,16-20,25-28H,12,14-15,21-24H2,1-9H3/b13-10+,16-11+/t25-,26-,27-,28-/m0/s1
InChIKeyBISLEBAYRWOAEF-PGBXSEHYSA-N
MW720.87 g/mol
LogP12.04
Rot. Bonds20

About tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane

tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane (PubChem CID 11714650) has the molecular formula C35H53F9O3Si and a molecular weight of 720.87 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane
PubChem CID11714650
Molecular FormulaC35H53F9O3Si
Molecular Weight720.87 g/mol
Exact Mass720.36
IUPAC Nametert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane
SMILESC[C@@H](C/C=C/[C@H](C)C/C=C/[C@H](C)[C@H](C)OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H53F9O3Si/c1-25(13-10-15-26(2)23-47-48(8,9)31(5,6)7)14-11-16-27(3)28(4)46-24-29-17-19-30(20-18-29)45-22-12-21-32(36,37)33(38,39)34(40,41)35(42,43)44/h10-11,13,16-20,25-28H,12,14-15,21-24H2,1-9H3/b13-10+,16-11+/t25-,26-,27-,28-/m0/s1
InChIKeyBISLEBAYRWOAEF-PGBXSEHYSA-N
XLogP12.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane with MolForge

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Related Compounds

tert-butyl-[(2S,4E,6S,8E,10R,11R)-11-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-2,6,10-trimethyldodeca-4,8-dienoxy]-dimethylsilane
CID 11564219
(2R,4E,6S,8E,10R,11R)-11-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-2,6,10-trimethyldodeca-4,8-dien-1-ol
CID 11564079
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecoxy)-4-[[(2R,3S,4E,7S,8E,11S)-3,7,11-trimethyltrideca-4,8,12-trien-2-yl]oxymethyl]benzene
CID 11629163
(E,2R,6R,7S)-2,6-dimethyl-7-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecoxy)phenyl]methoxy]oct-4-enal
CID 11563817
tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane
CID 173049506
tert-butyl-[(4R,5S,6S,7S)-6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecoxy)phenyl]methoxy]-9-iodo-5,7-dimethylnon-8-enoxy]-dimethylsilane
CID 91208318
tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 67148866
(4S,5S)-4-[(Z,5R)-1-(ethoxymethoxy)-5-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)phenyl]methoxy]hex-2-enyl]-5-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolane
CID 23635812
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-4-(113C)methylsulfanylbenzene
CID 54588099
(E,5S,6S,8R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4-methoxyphenyl)methoxy]-8-methylnon-2-en-1-ol
CID 53309488
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
(Z,3R,4S,7S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,8-dimethylnon-5-ene-1,7-diol
CID 154707062

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane (CID 11714650) is tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane is C[C@@H](C/C=C/[C@H](C)C/C=C/[C@H](C)[C@H](C)OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane?
The InChIKey is BISLEBAYRWOAEF-PGBXSEHYSA-N. The full InChI is InChI=1S/C35H53F9O3Si/c1-25(13-10-15-26(2)23-47-48(8,9)31(5,6)7)14-11-16-27(3)28(4)46-24-29-17-19-30(20-18-29)45-22-12-21-32(36,37)33(38,39)34(40,41)35(42,43)44/h10-11,13,16-20,25-28H,12,14-15,21-24H2,1-9H3/b13-10+,16-11+/t25-,26-,27-,28-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane?
tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane has a molecular weight of 720.87 g/mol, XLogP of 12.04, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane is sourced from PubChem (CID 11714650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).